2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide

C17H16N4O4 — CID 8632294

IUPAC2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1cc([N+](=O)[O-])cc(C#N)c1=O
InChIInChI=1S/C17H16N4O4/c1-3-12-6-4-5-11(2)16(12)19-15(22)10-20-9-14(21(24)25)7-13(8-18)17(20)23/h4-7,9H,3,10H2,1-2H3,(H,19,22)
InChIKeyZRKCHXRQCFHOOJ-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.14
Rot. Bonds5

About 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide

2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 8632294) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID8632294
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)Cn1cc([N+](=O)[O-])cc(C#N)c1=O
InChIInChI=1S/C17H16N4O4/c1-3-12-6-4-5-11(2)16(12)19-15(22)10-20-9-14(21(24)25)7-13(8-18)17(20)23/h4-7,9H,3,10H2,1-2H3,(H,19,22)
InChIKeyZRKCHXRQCFHOOJ-UHFFFAOYSA-N
XLogP2.14
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890319
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 2553207
N-(2-chlorophenyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 8632179
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-pentan-2-yl]acetamide
CID 8632311
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 4548648
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8632535
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 8632452
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 8632487
N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108512016
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]acetamide
CID 8632461
N-(2,6-diethylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26880535
2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide
CID 84572307

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide (CID 8632294) is 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)Cn1cc([N+](=O)[O-])cc(C#N)c1=O.
What is the InChIKey of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is ZRKCHXRQCFHOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-3-12-6-4-5-11(2)16(12)19-15(22)10-20-9-14(21(24)25)7-13(8-18)17(20)23/h4-7,9H,3,10H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide?
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 340.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 8632294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).